Cas no 160700-42-5 (Panclicin B)
Panclicin B structure
Product Name:Panclicin B
CAS No:160700-42-5
MF:C26H47NO5
MW:453.655088663101
CID:184768
Update Time:2024-03-01
Panclicin B Chemical and Physical Properties
Names and Identifiers
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- L-Alanine, N-formyl-,(1S)-1-[[(2S,3S)-3-decyl-4-oxo-2-oxetanyl]methyl]octyl ester (9CI)
- (-)-Panclicin B
- L-Alanine,N-formyl-, 1-[(3-decyl-4-oxo-2-oxetanyl)methyl]octyl ester, [2S-[2a[R*(R*)],3b]]-
- Panclicin B
-
- Inchi： 1S/C26H47NO5/c1-4-6-8-10-11-12-14-16-18-23-24(32-26(23)30)19-22(17-15-13-9-7-5-2)31-25(29)21(3)27-20-28/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
- InChI Key： WKCHBWPPSCZGSC-ZJZGAYNASA-N
- SMILES： O1C([C@@H](CCCCCCCCCC)[C@@H]1C[C@H](CCCCCCC)OC([C@H](C)NC=O)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 21
- Complexity: 524
- Topological Polar Surface Area: 81.7
Panclicin B Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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